General Information of the Compound
| Compound ID |
CP0426159
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| Compound Name |
N-[5-[6-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyanilino]-3-piperidin-1-ylpyridin-2-yl]oxy-2-methylphenyl]prop-2-enamide
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| Structure |
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| Formula |
C34H44N6O3
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| Molecular Weight |
584.765
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| Canonical SMILES |
COc1cc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCC(CC1)N(C)C
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| InChI |
InChI=1S/C34H44N6O3/c1-6-33(41)36-29-23-27(12-10-24(29)2)43-34-30(40-18-8-7-9-19-40)14-15-32(37-34)35-28-13-11-26(22-31(28)42-5)39-20-16-25(17-21-39)38(3)4/h6,10-15,22-23,25H,1,7-9,16-21H2,2-5H3,(H,35,37)(H,36,41)
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| InChIKey |
UAVSAGIAKWMDMK-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound